8-Azabicyclo(3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)- , Monoamine transporter inhibitor, CAS No.195875-68-4, Monoamine transporter inhibitor

CAS: 195875-68-4 Cat. No.: A671245 Molecular Weight: 314.2

Synonyms

NS-2359 | 8-AZABICYCLO(3.2.1)OCTANE, 3-(3,4-DICHLOROPHENYL)-2-(METHOXYMETHYL)-8-METHYL-, (1R,2R,3S,5S)- | UNII-76H76554PA | DB05805 | GSK-372475 | CHEMBL4297385 | NS 2359 | NS2359 | SCHEMBL2996257 | GSK 372475 | AKOS040747612 | PGYDXVBZYKQYCS-VPWBDBDCSA-N

Storage

Room temperature

Specifications

Synonyms

NS-2359 | 8-AZABICYCLO(3.2.1)OCTANE, 3-(3, 4-DICHLOROPHENYL)-2-(METHOXYMETHYL)-8-METHYL-, (1R, 2R, 3S, 5S)- | UNII-76H76554PA | DB05805 | GSK-372475 | CHEMBL4297385 | NS 2359 | NS2359 | SCHEMBL2996257 | GSK 372475 | AKOS040747612 | PGYDXVBZYKQYCS-VPWBDBDCSA-N

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Monoamine transporter inhibitor

Product Properties

• ALogP: 4.1

Names and Identifiers

• Canonical Smiles: CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)COC
• IUPAC Name: (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
• InChIKey: PGYDXVBZYKQYCS-VPWBDBDCSA-N
• INCHI: 1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC
• Molecular Weight: 314.2
• Reaxy-Rn: 11758788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11758788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Tropane alkaloids
      • Subclass Phenyltropanes

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Tropane alkaloids
• Subclass: Phenyltropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltropanes
• Alternative Parents: Phenylpiperidines Dichlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyltropane - Phenylpiperidine - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y